| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 8th, 2009 | 33 | No |
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CAS Number: 423769-22-6
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.16 | -0.1 | -98.19 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Ref Reference (pH 7) | -1.61 | -2.81 | -62.86 | 7 | 11 | -1 | 205 | 459.431 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -1.81 | -117.35 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | -2.31 | -142.63 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.89 | -3.04 | -75.85 | 7 | 11 | -1 | 205 | 459.431 | 1 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | -1.21 | -246.31 | 5 | 11 | -3 | 210 | 457.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.61 | 0.88 | -180.36 | 6 | 11 | -2 | 212 | 458.423 | 2 | ↓ |
| Hi High (pH 8-9.5) | -1.89 | -2.29 | -162.85 | 6 | 11 | -2 | 208 | 458.423 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.34 | -2.1 | -77.7 | 8 | 11 | 0 | 206 | 460.439 | 1 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -1.3 | -120.26 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -1.83 | -57.35 | 8 | 11 | 0 | 206 | 460.439 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -2.2 | -146.49 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.61 | -1.12 | -120.26 | 7 | 11 | -1 | 209 | 459.431 | 2 | ↓ |
| Mid Mid (pH 6-8) | -1.16 | -1.72 | -128.92 | 6 | 11 | -2 | 208 | 458.423 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 211 - 213 | Enamine Building Blocks |
| MP | 211...213 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.